Molecule card · MolClass #37286
24786480
24786480: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24786480Mitochondrial Fusion · compound_name
- MolClass ID
- 37286
- InChIKey
- BZHRVIKIKHFHDG-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)C3(O)(C(=O)Nc2ccc(cc23)Br)
- Standard InChI
- InChI=1S/C14H17BrN2O2/c1-9-4-6-17(7-5-9)14(19)11-8-10(15)2-3-12(11)16-13(14)18/h2-3,8-9,19H,4-7H2,1H3,(H,16,18)
- Stored Murcko scaffold
- c1ccc2c(c1)N[CH]C2N3CCCCC3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.201 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.901
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24786480